Example: System input from file¶

#!/bin/sh

cp $AMSHOME/examples/dftb/TECH_systeminput/*.xyz .

AMS_JOBNAME=bc_standard $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
   Resourcesdir DFTB.org/mio-1-1
   Model DFTB0
EndEngine
System
   GeometryFile bc_standard.xyz
End
EOF

AMS_JOBNAME=bc_lattice1 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
   Resourcesdir DFTB.org/mio-1-1
   Model DFTB0
EndEngine
System
   GeometryFile bc_lattice1.xyz
End
EOF

AMS_JOBNAME=bc_lattice2 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
   Resourcesdir DFTB.org/mio-1-1
   Model DFTB0
EndEngine
System
   GeometryFile bc_lattice2.xyz
End
EOF

AMS_JOBNAME=bc_lattice3 $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
   Resourcesdir DFTB.org/mio-1-1
   Model DFTB0
EndEngine
System
   GeometryFile bc_lattice3.xyz
End
EOF

AMS_JOBNAME=bc_lattice3_blanklines $AMSBIN/ams << EOF
Task SinglePoint
Engine DFTB
   Resourcesdir DFTB.org/mio-1-1
   Model DFTB0
EndEngine
System
   GeometryFile bc_lattice3_blanklines.xyz
End
EOF